Molecule card · MolClass #38103
17514606
17514606: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 17514606Mitochondrial Fusion · compound_name
- MolClass ID
- 38103
- InChIKey
- JOMRIBVJEUONEL-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)c2csc3ncnc(c23)n5nnc4ccccc45
- Standard InChI
- InChI=1S/C19H13N5S/c1-12-6-8-13(9-7-12)14-10-25-19-17(14)18(20-11-21-19)24-16-5-3-2-4-15(16)22-23-24/h2-11H,1H3
- Stored Murcko scaffold
- n1nn(-c2ncnc3scc(-c4ccccc4)c32)c5ccccc15
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
- 22402003#39186
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 84.73 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 343.407 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.164
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 17514606